(Q105147295)

English

2-Propenoic acid, 3-phenyl-, (1S,4aR,6S,7R,7aS)-4-formyl-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta(c)pyran-6-yl ester, (2E)-

chemical compound

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instance of

type of chemical entity

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subclass of

[4-Formyl-4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-6-yl] 3-phenylprop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

522.1737264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₀O₁₂

0 references

canonical SMILES

O=CC1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1(O)CC(OC(=O)C=CC=4C=CC=CC4)C3(O)C

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isomeric SMILES

C[C@]1(O)[C@@H](OC(=O)/C=C/c2ccccc2)C[C@]2(O)C(C=O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21

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found in taxon

Campsis grandiflora

4 references

stated in

Studies on constituents of Bignoniaceae plants. IV. Isolation and structure of a new iridoid glucoside, campsiside, from Campsis chinensis.

stated in

Structures of Cachineside III, IV, and V, Iridoid Glucosides from Campsis chinensis Voss.

stated in

Structures of Cachineside III, IV, and V, Iridoid Glucosides from Campsis chinensis Voss.

stated in

Studies on constituents of Bignoniaceae plants. IV. Isolation and structure of a new iridoid glucoside, campsiside, from Campsis chinensis.

Podranea ricasoliana

1 reference

stated in

Pondraneoside, A New Iridoid Glucoside From Pondranea ricasoliana

Identifiers

InChI

InChI=1S/C25H30O12/c1-24(32)16(36-17(28)8-7-13-5-3-2-4-6-13)9-25(33)14(10-26)12-34-23(21(24)25)37-22-20(31)19(30)18(29)15(11-27)35-22/h2-8,10,12,15-16,18-23,27,29-33H,9,11H2,1H3/b8-7+/t15-,16+,18-,19+,20-,21-,22+,23+,24+,25+/m1/s1

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InChIKey

KXECYQPGZKXFOQ-FKIYFOAOSA-N

0 references

CAS Registry Number

83459-43-2

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

1 reference

17 September 2022

inferred from InChIKey

1 reference

1 reference

matched by identifier from

InChIKey

KXECYQPGZKXFOQ-FKIYFOAOSA-N

(Q105147295)

2-Propenoic acid, 3-phenyl-, (1S,4aR,6S,7R,7aS)-4-formyl-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,7-dihydroxy-7-methylcyclopenta(c)pyran-6-yl ester, (2E)-

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